5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine

C7H3Br2N5O2 — CID 103099159

IUPAC5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1nc(Br)n(-c2ccc(Br)cn2)n1
InChIInChI=1S/C7H3Br2N5O2/c8-4-1-2-5(10-3-4)13-6(9)11-7(12-13)14(15)16/h1-3H
InChIKeyVXJUMAMGUQRZLN-UHFFFAOYSA-N
MW348.94 g/mol
LogP2.10
Rot. Bonds2

About 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine

5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine (PubChem CID 103099159) has the molecular formula C7H3Br2N5O2 and a molecular weight of 348.94 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine
PubChem CID103099159
Molecular FormulaC7H3Br2N5O2
Molecular Weight348.94 g/mol
Exact Mass346.87
IUPAC Name5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1nc(Br)n(-c2ccc(Br)cn2)n1
InChIInChI=1S/C7H3Br2N5O2/c8-4-1-2-5(10-3-4)13-6(9)11-7(12-13)14(15)16/h1-3H
InChIKeyVXJUMAMGUQRZLN-UHFFFAOYSA-N
XLogP2.10
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.94
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-pyridinyl)-3-methyl-4-nitropyrazol-5-amine
CID 65347634
5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-4-methoxypyrimidine
CID 106999148
5-bromo-2-(4-nitropyrazol-1-yl)pyridine
CID 61373223
2-(5-bromo-2-pyridinyl)-5-nitroindazole
CID 67126046
3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine-4-carboxylic acid
CID 103098335
6-bromo-2-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 83899513
2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3-fluorobenzoic acid
CID 103098352
2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-6-fluorobenzoic acid
CID 103099267
4-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3,5-difluorobenzoic acid
CID 103098343
5-bromo-1-(chloromethyl)-3-nitro-1,2,4-triazole
CID 12574278
4-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-bromophenyl)butan-1-one
CID 103098804
4,5-dibromo-2-(5-bromo-2-pyridinyl)pyridazin-3-one
CID 65347944

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine (CID 103099159) is 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine is O=[N+]([O-])c1nc(Br)n(-c2ccc(Br)cn2)n1.
What is the InChIKey of 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine?
The InChIKey is VXJUMAMGUQRZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2N5O2/c8-4-1-2-5(10-3-4)13-6(9)11-7(12-13)14(15)16/h1-3H.
What are the key properties of 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine?
5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine has a molecular weight of 348.94 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 103099159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).